Hi there,
I'm currently refining a crystal structure which has 2 mols. in the
asymmetric unit. I want to be able to conduct a full SA run maintaining
NCS-strict restraints on the protein, but not apply these restraints
to waters ( as i'm sure the water structure is different over the
two mols.).
Does anyone know how i might do this? Or alternatively a weight that
i can give the protein using the NCS-restraints command to make
it equivalent to NCS-strict?
Thanks in advance.
Mark Banfield.
